3-[[2-bromanyl-3,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[2-bromanyl-3,5-bis(iodanyl)phenyl]carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(2-bromo-3,5-diiodo-benzoyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[(2-bromo-3,5-diiodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(2-bromo-3,5-diiodobenzoyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[(2-bromo-3,5-diiodo-benzoyl)thiocarbamoylamino]-4-chloro-benzoic acid Formula: C15H8BrClI2N2O3S MolecularWeight: 665.46656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I)Cl

InChI

InChI=1S/C15H8BrClI2N2O3S/c16-12-8(4-7(18)5-10(12)19)13(22)21-15(25)20-11-3-6(14(23)24)1-2-9(11)17/h1-5H,(H,23,24)(H2,20,21,22,25)